3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide

C28H32ClN5O2 — CID 118631499

IUPAC3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCCCCn1c(-c2cccc(C(=O)NCCN(C)C)c2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C28H32ClN5O2/c1-4-5-6-15-33-25(21-8-7-9-22(17-21)27(36)30-14-16-32(2)3)18-26(35)34-19-24(31-28(33)34)20-10-12-23(29)13-11-20/h7-13,17-19H,4-6,14-16H2,1-3H3,(H,30,36)
InChIKeyQBKOIHJKXFEQOH-UHFFFAOYSA-N
MW506.05 g/mol
LogP4.97
Rot. Bonds10

About 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 118631499) has the molecular formula C28H32ClN5O2 and a molecular weight of 506.05 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID118631499
Molecular FormulaC28H32ClN5O2
Molecular Weight506.05 g/mol
Exact Mass505.22
IUPAC Name3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCCCCCn1c(-c2cccc(C(=O)NCCN(C)C)c2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C28H32ClN5O2/c1-4-5-6-15-33-25(21-8-7-9-22(17-21)27(36)30-14-16-32(2)3)18-26(35)34-19-24(31-28(33)34)20-10-12-23(29)13-11-20/h7-13,17-19H,4-6,14-16H2,1-3H3,(H,30,36)
InChIKeyQBKOIHJKXFEQOH-UHFFFAOYSA-N
XLogP4.97
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.05
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 118631499) is 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide is CCCCCn1c(-c2cccc(C(=O)NCCN(C)C)c2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is QBKOIHJKXFEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O2/c1-4-5-6-15-33-25(21-8-7-9-22(17-21)27(36)30-14-16-32(2)3)18-26(35)34-19-24(31-28(33)34)20-10-12-23(29)13-11-20/h7-13,17-19H,4-6,14-16H2,1-3H3,(H,30,36).
What are the key properties of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 506.05 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 118631499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).